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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/Cationic_system i4-+-oss	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-2759.62091532; Eh
	16-Sep-2022	/Cationic_system i4-+s-freq	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ 6-31G GENECP*	-2759.61376956; Eh
	16-Sep-2022	/Cationic_system i4-+s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-2759.61376956; Eh
	16-Sep-2022	/Cationic_system i4-+t-freq	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G GENECP*	-2759.62576613; Eh
	16-Sep-2022	/Cationic_system i4-+t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-2759.62576613; Eh
	16-Sep-2022	/Cationic_system i5-+-s-freq	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.36815786; Eh
	26-Feb-2024	ch3i-h-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-51.9575179070; Eh
	16-Sep-2022	/Cationic_system i5-+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.36815786; Eh
	16-Sep-2022	/Cationic_system TS56-+-s-2	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.36275786; Eh
	26-Dec-2022	/other_bases/TEA TEA-proR-2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2804.8346787; Eh

Results 1121-1130 of 12354 (Search time: 0.004 seconds).